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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22O8
Molecular Weight 414.4053
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-9-METHOXY-FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.))-

SMILES

[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(O)C(OC)=C3)C4=C(C=C5OCOC5=C4)[C@H]2OC

InChI

InChIKey=AMTKNUDRCUERFP-DXRQPORESA-N
InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)20(16)23)18-11-6-14-15(30-9-29-14)7-12(11)21(27-3)13-8-28-22(24)19(13)18/h4-7,13,18-19,21,23H,8-9H2,1-3H3/t13-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22O8
Molecular Weight 414.4053
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:17:55 GMT 2023
Edited
by admin
on Sat Dec 16 15:17:55 GMT 2023
Record UNII
UY5BXI2HZ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-9-METHOXY-FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.))-
Systematic Name English
ETOPOSIDE IMPURITY J [EP IMPURITY]
Common Name English
(5R,5AR,8AR,9S)-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-9-METHOXY-5,8,8A,9-TETRAHYDRO(2)BENZOFURO(5,6-F)(1,3)BENZODIOXOL-6(5AH)-ONE
Systematic Name English
FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-9-METHOXY-, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
15621809
Created by admin on Sat Dec 16 15:17:55 GMT 2023 , Edited by admin on Sat Dec 16 15:17:55 GMT 2023
PRIMARY
CAS
118356-05-1
Created by admin on Sat Dec 16 15:17:55 GMT 2023 , Edited by admin on Sat Dec 16 15:17:55 GMT 2023
PRIMARY
FDA UNII
UY5BXI2HZ5
Created by admin on Sat Dec 16 15:17:55 GMT 2023 , Edited by admin on Sat Dec 16 15:17:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY